Compound Detail
CHEMBL3799840
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CN1CCN(c2ccc(-c3ccc4[nH]ccc4c3)cc2NC(=O)c2c[nH]c(=O)cc2C(F)(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL3799840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQJXVMGEVOIIMV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
4.55
ALogP
4
HBA
3
HBD
84.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 50.0 | nM | 7.3 | Binding affinity to human poly His-tagged WDR5 (1 to 334 residues) expressed in ... | 26958703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26958703 | 10.1021/acs.jmedchem.5b01630 | WD repeat-containing protein 5 | 2 |
Data from ChEMBL 36 via Core Engine